8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol

C18H26F6O — CID 91365425

IUPAC8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol
SMILESCCC(CC=CCCC(O)(C(F)(F)F)C(F)(F)F)C12CCC(CC1)C2
InChIInChI=1S/C18H26F6O/c1-2-14(15-10-7-13(12-15)8-11-15)6-4-3-5-9-16(25,17(19,20)21)18(22,23)24/h3-4,13-14,25H,2,5-12H2,1H3
InChIKeyYDCKEEHGILBEOR-UHFFFAOYSA-N
MW372.39 g/mol
LogP6.18
Rot. Bonds7

About 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol

8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol (PubChem CID 91365425) has the molecular formula C18H26F6O and a molecular weight of 372.39 g/mol. Its IUPAC name is 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol.

Molecular Properties

Compound Name8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol
PubChem CID91365425
Molecular FormulaC18H26F6O
Molecular Weight372.39 g/mol
Exact Mass372.19
IUPAC Name8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol
SMILESCCC(CC=CCCC(O)(C(F)(F)F)C(F)(F)F)C12CCC(CC1)C2
InChIInChI=1S/C18H26F6O/c1-2-14(15-10-7-13(12-15)8-11-15)6-4-3-5-9-16(25,17(19,20)21)18(22,23)24/h3-4,13-14,25H,2,5-12H2,1H3
InChIKeyYDCKEEHGILBEOR-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol?
The IUPAC name of 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol (CID 91365425) is 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol.
What is the SMILES notation for 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol?
The canonical SMILES for 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol is CCC(CC=CCCC(O)(C(F)(F)F)C(F)(F)F)C12CCC(CC1)C2.
What is the InChIKey of 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol?
The InChIKey is YDCKEEHGILBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6O/c1-2-14(15-10-7-13(12-15)8-11-15)6-4-3-5-9-16(25,17(19,20)21)18(22,23)24/h3-4,13-14,25H,2,5-12H2,1H3.
What are the key properties of 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol?
8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol has a molecular weight of 372.39 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)dec-5-en-2-ol is sourced from PubChem (CID 91365425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).